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13 similar compounds to monomer 97610

Compile data set for download or QSAR
Wt: 343.4
BDBM97618
Wt: 342.4
BDBM97609
Wt: 368.4
BDBM97615
Wt: 368.4
BDBM97622
Wt: 358.4
BDBM97617
Wt: 358.4
BDBM97619
Wt: 342.4
BDBM97598
Wt: 342.4
BDBM97599
Wt: 342.4
BDBM50332547
Wt: 342.4
BDBM50332549
Wt: 354.4
BDBM97621
Wt: 390.4
BDBM97611
Wt: 328.4
BDBM97616

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 97618,97609,97615,97622,97617,97619,97598,97599,50332547,50332549,97621,97611,97616   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97598
PNG
(US8470841, 10)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
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US Patent
n/an/a 150n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50332549
PNG
((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 200n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97609
PNG
(US8470841, 33)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 60n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 70n/an/an/an/a7.537



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US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97615
PNG
(US8470841, 44)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)
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n/an/a 90n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 670n/an/an/an/a7.537



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US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97617
PNG
(CHEMBL1629723 | US8470841, 46)
Show SMILES COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(2)25-19-12-11-18(13-21-19)26-17-9-7-16(8-10-17)6-5-15(3)22-20(23)24-4/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 210n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 150n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97619
PNG
(US8470841, 48)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(=O)CO)cc2)cn1
Show InChI InChI=1S/C20H26N2O4/c1-14(2)25-20-11-10-18(12-21-20)26-17-8-6-16(7-9-17)5-4-15(3)22-19(24)13-23/h6-12,14-15,23H,4-5,13H2,1-3H3,(H,22,24)
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n/an/a 900n/an/an/an/a7.537



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US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97621
PNG
(US8470841, 50)
Show SMILES CC(CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C21H26N2O3/c1-15(23-16(2)24)3-4-17-7-9-19(10-8-17)26-20-11-12-21(22-13-20)25-14-18-5-6-18/h7-13,15,18H,3-6,14H2,1-2H3,(H,23,24)
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n/an/a 170n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 80n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97617
PNG
(CHEMBL1629723 | US8470841, 46)
Show SMILES COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(2)25-19-12-11-18(13-21-19)26-17-9-7-16(8-10-17)6-5-15(3)22-20(23)24-4/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50332547
PNG
((R)-N-(4-(4-(6-isopropoxypyridin-3-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50332549
PNG
((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 700n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97617
PNG
(CHEMBL1629723 | US8470841, 46)
Show SMILES COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(2)25-19-12-11-18(13-21-19)26-17-9-7-16(8-10-17)6-5-15(3)22-20(23)24-4/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50332547
PNG
((R)-N-(4-(4-(6-isopropoxypyridin-3-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50332549
PNG
((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50332549
PNG
((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97618
PNG
(CHEMBL1630702 | US8470841, 47)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
Show InChI InChI=1S/C19H25N3O3/c1-13(2)24-18-11-10-17(12-21-18)25-16-8-6-15(7-9-16)5-4-14(3)22-19(20)23/h6-14H,4-5H2,1-3H3,(H3,20,22,23)
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n/an/a 150n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97617
PNG
(CHEMBL1629723 | US8470841, 46)
Show SMILES COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(2)25-19-12-11-18(13-21-19)26-17-9-7-16(8-10-17)6-5-15(3)22-20(23)24-4/h7-15H,5-6H2,1-4H3,(H,22,23)
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n/an/a 250n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97616
PNG
(CHEMBL1630720 | US8470841, 45)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
Show InChI InChI=1S/C19H24N2O3/c1-14(2)23-19-11-10-18(12-20-19)24-17-8-6-16(7-9-17)5-4-15(3)21-13-22/h6-15H,4-5H2,1-3H3,(H,21,22)
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n/an/a 670n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50332547
PNG
((R)-N-(4-(4-(6-isopropoxypyridin-3-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(C)=O)cc2)cn1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50332549
PNG
((S)-N-(4-(4-(5-isopropoxypyridin-2-yloxy)phenyl)bu...)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-19-11-12-20(21-13-19)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97611
PNG
(CHEMBL1630712 | US8470841, 36)
Show SMILES CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
Show InChI InChI=1S/C24H26N2O3/c1-18(26-19(2)27)8-9-20-10-12-22(13-11-20)29-23-14-15-24(25-16-23)28-17-21-6-4-3-5-7-21/h3-7,10-16,18H,8-9,17H2,1-2H3,(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM97622
PNG
(CHEMBL1630701 | US8470841, 51)
Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1
Show InChI InChI=1S/C22H28N2O3/c1-15(2)26-21-13-12-20(14-23-21)27-19-10-6-17(7-11-19)5-4-16(3)24-22(25)18-8-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3,(H,24,25)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay


J Med Chem 53: 8679-87 (2010)


Article DOI: 10.1021/jm101179e
BindingDB Entry DOI: 10.7270/Q28K79BT
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM97599
PNG
(US8470841, 11)
Show SMILES CCCOc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nc1
Show InChI InChI=1S/C20H26N2O3/c1-4-13-24-19-11-12-20(21-14-19)25-18-9-7-17(8-10-18)6-5-15(2)22-16(3)23/h7-12,14-15H,4-6,13H2,1-3H3,(H,22,23)
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US Patent
n/an/a 140n/an/an/an/a7.537



Sanofi

US Patent


Assay Description
the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.


US Patent US8470841 (2013)


BindingDB Entry DOI: 10.7270/Q2183537
More data for this
Ligand-Target Pair